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Home > Imidazoles > 89307-41-5
89307-41-5 | Benzamide, N-butoxy-4-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]-
CAS No: 89307-41-5 Catalog No: AG00873Q MDL No:
Product Description
Catalog Number:
AG00873Q
Chemical Name:
Benzamide, N-butoxy-4-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]-
CAS Number:
89307-41-5
Molecular Formula:
C17H20N4O4
Molecular Weight:
344.3651
IUPAC Name:
N-butoxy-4-[2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]benzamide
InChI:
InChI=1S/C17H20N4O4/c1-3-4-11-25-19-17(22)14-8-5-13(6-9-14)7-10-15-18-12-16(20(15)2)21(23)24/h5-10,12H,3-4,11H2,1-2H3,(H,19,22)
InChI Key:
FHEDYSOCKDPXOO-UHFFFAOYSA-N
SMILES:
CCCCONC(=O)c1ccc(cc1)C=Cc1ncc(n1C)[N+](=O)[O-]
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.371g/mol
Monoisotopic Mass:
344.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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